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Title: Pharmacological network study on the effect of 6-gingerol on cervical cancer using computerized databases
Authors: Martínez Esquivias, Fernando
Guzmán Flores, Juan Manuel
Chávez Díaz, Ismael Fernando
Iñiguez Muñoz, Laura Elena
Reyes Chaparro, Andrés
Keywords: 6-gingerol
cervical cancer
pharmacological network
molecular docking
molecular dynamics
Issue Date: Sep-2023
Publisher: NIH National Library of Medicine
Citation: Martínez-Esquivias F, Guzmán-Flores JM, Chávez-Díaz IF, Iñiguez-Muñoz LE, Reyes-Chaparro A. Pharmacological network study on the effect of 6-gingerol on cervical cancer using computerized databases. J Biomol Struct Dyn. 2023 Sep 29:1-12. doi: 10.1080/07391102.2023.2264943. Epub ahead of print. PMID: 37776009.
Series/Report no.: Journal of Biomolecular Structure and Dynamics;2023 Sep 29:1-12.
Abstract: Cervical cancer (CC) is the most frequent cancer in the female population worldwide. Although there are treatments available, they are ineffective and cause adverse effects. 6-gingerol is an active component in ginger with anticancer activity. This research aims to discover the mechanism by which 6-gingerol act as an anticancer agent on CC through a pharmacological network using bioinformatics databases. From MalaCard, Swiss Target Prediction, Comparative Toxicogenomics Database, and Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform, we obtained the target genes for 6-gingerol and CC and matched them. We got 26 genes and analyzed them in ShinyGO-0.76.3 and DAVID-Bioinformatics Resources. Then, we generated a protein-protein interaction network in Cytoscape and obtained 12 hub genes. Hub genes were analyzed in Gene Expression Profiling Interactive Analysis and TISIDB. In addition, molecular docking studies were performed between target proteins with 6-gingerol using SwissDock database. Finally, molecular dynamics studies for three proteins with the lowest interaction energy were implemented using Gromacs software. According to gene ontology results, 6-gingerol is involved in processes of apoptosis, cell cycle, and protein kinase complexes, affecting mitochondria and pathways related to HPV infection. CTNNB1 gene was negatively correlated with CD8þ infiltration but was not associated with a higher survival rate. Furthermore, the molecular docking study showed that 6-gingerol has a high binding to proteins, and the molecular dynamics showed a stable interaction of 6-gingerol to AKT1, CCNB1, and CTNNB1 proteins. Conclusion, our work helps to understand the anticancer activity of 6-gingerol in CC that should be studied experimentally.
Description: Artículo
ISSN: 0739-1102
Appears in Collections:2414 Artículos

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